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DocumentationIdentifier: MM364445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364445 |
| SMILES |
C=CC(=O)C=CCNCC
|
| InChIKey |
NUKJEWHCMJBSJX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67915
Similarity: 0.8846
Similarity to MM67915
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282378
Similarity: 0.8214
Similarity to MM282378
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.902 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64020
Similarity: 0.7051
Similarity to MM64020
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8271 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
